2-(pentylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(pentylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(pentylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(pentylamino)ethyl ester hydrochloride IUPAC Name: 2-(pentylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(amylamino)ethyl ester hydrochloride Formula: C14H21ClN2O4 MolecularWeight: 316.78054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCCNCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H20N2O4.ClH/c1-2-3-4-9-15-10-11-20-14(17)12-5-7-13(8-6-12)16(18)19;/h5-8,15H,2-4,9-11H2,1H3;1H